2(1H)-Pyrimidinethione, 3,4-dihydro-1-(p-hydroxyphenyl)-4,4,6-trimethyl-

Base Information

• Chemical Name: 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(p-hydroxyphenyl)-4,4,6-trimethyl-
• CAS No.: 37489-46-6
• Molecular Formula: C₁₃H₁₆N₂OS
• Molecular Weight: 248.349
• NSC Number: 49827
• UNII: R5TLD12BCD
• DSSTox Substance ID: DTXSID80190938
• Nikkaji Number: J51.399G
• Mol file: 37489-46-6.mol

Synonyms:37489-46-6;2(1H)-Pyrimidinethione, 3,4-dihydro-1-(p-hydroxyphenyl)-4,4,6-trimethyl-;3-(4-hydroxyphenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione;R5TLD12BCD;NSC-49827;3,4-Dihydro-1-(4-hydroxyphenyl)-4,4,6-trimethyl-2(1H)-pyrimidinethione;USAF K-1346;NSC 49827;BRN 0199654;NSC49827;1-(4-Hydroxyphenyl)-2-thio-4,4,6-trimethyl dihydropyrimidine;UNII-R5TLD12BCD;2(1H)-Pyrimidinethione, 3,4-dihydro-1-(4-hydroxyphenyl)-4,4,6-trimethyl-;DTXSID80190938;SR-01000197824;SR-01000197824-1;2(1H)-Pyrimidinethione,4-dihydro-1-(4-hydroxyphenyl)-4,4,6-trimethyl-;2-PYRIMIDINETHIOL, 1,4-DIHYDRO-1-(P-HYDROXYPHENYL)-4,4,6-TRIMETHYL-

Chemical Property of 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(p-hydroxyphenyl)-4,4,6-trimethyl-

Chemical Property:

• Vapor Pressure: 2.18E-06mmHg at 25°C
• Boiling Point: 382.2°Cat760mmHg
• Flash Point: 185°C
• PSA: 74.63000
• Density: 1.26g/cm³
• LogP: 2.68100
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 248.09833431
• Heavy Atom Count: 17
• Complexity: 343

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(NC(=S)N1C2=CC=C(C=C2)O)(C)C

Technology Process of 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(p-hydroxyphenyl)-4,4,6-trimethyl-

There total 2 articles about 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(p-hydroxyphenyl)-4,4,6-trimethyl- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

4-amino-phenol (123-30-8) + 4-isothiocyanato-4-methylpentan-2-one (27248-25-5) → 1-(4-hydroxy-phenyl)-4,4,6-trimethyl-3,4-dihydro-1H-pyrimidine-2-thione (37489-46-6)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/ja01103a519

Reference yield:

→ 1-(4-hydroxy-phenyl)-4,4,6-trimethyl-3,4-dihydro-1H-pyrimidine-2-thione (37489-46-6)

Guidance literature:

4-Isothiocyanato-4-methyl-pentan-2-on, Xylol, p-Amino-phenol, Erhitzen;

DOI:10.1007/BF00906236

Reference yield:

1-(4-hydroxy-phenyl)-4,4,6-trimethyl-3,4-dihydro-1H-pyrimidine-2-thione (37489-46-6) → 4-(4,4,6-trimethyl-4H-[1,3]thiazin-2-ylamino)-phenol (37591-12-1)

Guidance literature:

With hydrogenchloride;

DOI:10.1007/BF00475217

upstream raw materials:

4-amino-phenol

4-isothiocyanato-4-methylpentan-2-one

Downstream raw materials:

4-(4,4,6-trimethyl-4H-[1,3]thiazin-2-ylamino)-phenol

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